N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine

C10H14N2 — CID 123566008

IUPACN-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
SMILESC=CC=CC(=C)C(=C)N(C)N=C
InChIInChI=1S/C10H14N2/c1-6-7-8-9(2)10(3)12(5)11-4/h6-8H,1-4H2,5H3
InChIKeyFKNXAPWRVDARII-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine

N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine (PubChem CID 123566008) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
PubChem CID123566008
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
SMILESC=CC=CC(=C)C(=C)N(C)N=C
InChIInChI=1S/C10H14N2/c1-6-7-8-9(2)10(3)12(5)11-4/h6-8H,1-4H2,5H3
InChIKeyFKNXAPWRVDARII-UHFFFAOYSA-N
XLogP2.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 88960569
(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
CID 89320182
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342605
(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine
CID 139355968
(3Z,6Z)-N-(3-methylbut-2-en-2-yl)-N-(methylideneamino)octa-1,3,6-trien-2-amine
CID 139373816
(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine
CID 139397574
(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazole
CID 142338035
1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine
CID 143325340
N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
CID 143554337
ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-2-methyl-3H-pyrazole
CID 143596132
ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide
CID 143895839

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine?
The IUPAC name of N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine (CID 123566008) is N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine.
What is the SMILES notation for N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine?
The canonical SMILES for N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine is C=CC=CC(=C)C(=C)N(C)N=C.
What is the InChIKey of N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine?
The InChIKey is FKNXAPWRVDARII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-6-7-8-9(2)10(3)12(5)11-4/h6-8H,1-4H2,5H3.
What are the key properties of N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine?
N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine has a molecular weight of 162.24 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine is sourced from PubChem (CID 123566008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).